(2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C18H23N3O3 — CID 95079858

IUPAC(2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1
InChIInChI=1S/C18H23N3O3/c1-12(2)15-11-17(24-20-15)16-8-5-9-21(16)18(22)19-13-6-4-7-14(10-13)23-3/h4,6-7,10-12,16H,5,8-9H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyOMTLPJJZLUAMKB-MRXNPFEDSA-N
MW329.40 g/mol
LogP4.18
Rot. Bonds4

About (2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

(2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 95079858) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID95079858
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1
InChIInChI=1S/C18H23N3O3/c1-12(2)15-11-17(24-20-15)16-8-5-9-21(16)18(22)19-13-6-4-7-14(10-13)23-3/h4,6-7,10-12,16H,5,8-9H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyOMTLPJJZLUAMKB-MRXNPFEDSA-N
XLogP4.18
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95080012
(2S)-N-(2,5-dimethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079905
(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 95079977
methyl 4-[[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95079988
N-(4-chlorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001411
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079926
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079928
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809265
N-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53096429
ethyl 4-[[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95079952
(2R)-N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079939
(2R)-N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079955

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 95079858) is (2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is COc1cccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1.
What is the InChIKey of (2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is OMTLPJJZLUAMKB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)15-11-17(24-20-15)16-8-5-9-21(16)18(22)19-13-6-4-7-14(10-13)23-3/h4,6-7,10-12,16H,5,8-9H2,1-3H3,(H,19,22)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
(2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95079858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).